Dear all, These days I am trying to use the Denchar program. It seems that the program can only deal with the orthogonal crystal vector. So if I want to plot the wavefuction of the non-orthogonal lattice vectors based system, how can I do this? Best regards, Shizheng Wen
2010/5/31 Jackie Wan <jackiewa...@yahoo.com> > Dear All, > > First of all, thank you for your time. > > I’m learning to analyze the results, such as to visualize the molecular > orbital and also look into the DOS and PDOS et. al. But when go through the > Denchar program and its user guide, I cannot really catch it idea and had > some problem. I wonder if someone can give some example more explicit about > how to make use of wavefunction and electron density file produced by the > SIESTA. For example, for the experience one, if you could give an example > about H2O or some other simple molecule with the visualizing program > XcrySDen. And some explains or comments would be appreciates. > > > It may be a waste of time for you to do this, so maybe just comment some > idea, and if possible, please also include some materials. > > Thank you very much in advance. > > And thanks for your time again! > > Best regards, > > Wan > >
